5-[2-(4-methoxy-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid

C15H18N2O3 — CID 82489004

IUPAC5-[2-(4-methoxy-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid
SMILESCOc1ccc(C(C)(C)c2cc(C(=O)O)n[nH]2)cc1C
InChIInChI=1S/C15H18N2O3/c1-9-7-10(5-6-12(9)20-4)15(2,3)13-8-11(14(18)19)16-17-13/h5-8H,1-4H3,(H,16,17)(H,18,19)
InChIKeyMJBWVJWQCVQIQL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.75
Rot. Bonds4

About 5-[2-(4-methoxy-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid

5-[2-(4-methoxy-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid (PubChem CID 82489004) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[2-(4-methoxy-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-methoxy-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid
PubChem CID82489004
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-[2-(4-methoxy-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid
SMILESCOc1ccc(C(C)(C)c2cc(C(=O)O)n[nH]2)cc1C
InChIInChI=1S/C15H18N2O3/c1-9-7-10(5-6-12(9)20-4)15(2,3)13-8-11(14(18)19)16-17-13/h5-8H,1-4H3,(H,16,17)(H,18,19)
InChIKeyMJBWVJWQCVQIQL-UHFFFAOYSA-N
XLogP2.75
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid
CID 82485491
5-[2-(2,4,5-trimethylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid
CID 82488584
2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 82098466
5-(2-methylbutan-2-yl)-1H-pyrazole-3-carboxylic acid
CID 69116852
methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 116963053
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one
CID 15324535
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82086444
1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene
CID 20723728
5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrazole-3-carboxylic acid
CID 136574708
5-tert-butyl-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 681554
2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid
CID 61327040

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxy-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-[2-(4-methoxy-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid (CID 82489004) is 5-[2-(4-methoxy-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(4-methoxy-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(4-methoxy-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid is COc1ccc(C(C)(C)c2cc(C(=O)O)n[nH]2)cc1C.
What is the InChIKey of 5-[2-(4-methoxy-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is MJBWVJWQCVQIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-7-10(5-6-12(9)20-4)15(2,3)13-8-11(14(18)19)16-17-13/h5-8H,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 5-[2-(4-methoxy-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid?
5-[2-(4-methoxy-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxy-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 82489004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).